Geometry & MOs

Info

ID:	31414
PubChem CID:	855689
Reduced:	ON3C8H12 (2)
Stoich.:	AB3C8D12 (2)
Weight, g/mol:	332.196074
ΔH_f, kcal/mol:	19.23
Dipole, Da:	7.43
IP(EA), eV:	-8.83(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(furan-2-ylmethyl)-4-[[1-[[(2S)-oxolan-2-yl]methyl]tetrazol-5-yl]methyl]piperazine

Drug info:

PubChemData

Smile

C1C[C@@H](OC1)CN2C(=NN=N2)CN3CCN(CC3)CC4=CC=CO4

DOS

IR

Vibrations